wikstroelide A
TL;DR: wikstroelide A (CAS 73061-92-4) is a chemical compound with molecular formula C36H50O10 and molecular weight 642.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
Also Known As: Acetoxyhuratoxin, wikstroelide A, Subtoxin A, 12beta-acetoxyhuratoxin, Huratoxin, 12-(acetyloxy)-, (12beta)-
| Molecular Formula | C36H50O10 |
|---|---|
| Molecular Weight | 642.34 g/mol |
| LogP | 3.9709 |
| Topological Polar Surface Area | 144.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 642.3404 |
| Heavy Atoms | 46 |
| Complexity | 1353.7059 |
Chemical Identifiers
| CAS Number | 73061-92-4 |
|---|---|
| SMILES | CCCCCCCCC/C=C/C=C/[C@@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO |
Product Overview
wikstroelide A (CAS 73061-92-4), with molecular formula C36H50O10 and molecular weight 642.34 g/mol. IUPAC: [(2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate.
Chemical Property Profile of wikstroelide A
Property Insights of wikstroelide A
The XLogP value of 3.9709 indicates that wikstroelide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.28 Ų indicates high polarity, suggesting wikstroelide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, wikstroelide A has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of wikstroelide A?
The CAS number of wikstroelide A is 73061-92-4.
What is the molecular formula of wikstroelide A?
The molecular formula of wikstroelide A is C36H50O10.
What is the molecular weight of wikstroelide A?
The molecular weight of wikstroelide A is 642.34 g/mol.
Where can I buy wikstroelide A?
You can request a quote for wikstroelide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for wikstroelide A?
Yes, KEHONG BIO provides custom synthesis services for wikstroelide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.